B9TNO4 -OEChem-04012117112D 43 46 0 1 0 0 0 0 0999 V2000 8.6007 0.6020 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.0142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1898 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 -1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1007 1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 -0.2027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6007 0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6007 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1007 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 -0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1007 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6007 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1007 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6007 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 -0.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2084 -0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 2.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 -1.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5638 -1.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7907 -2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6377 -2.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9107 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 -2.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7207 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 -1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1377 0.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9107 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0638 0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 23 1 0 0 0 0 6 22 1 0 0 0 0 6 27 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 20 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 19 2 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$